#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fcc s ARG 3 N 0.00 0.72 -0.23 -2.82 3.52 -1.26 -4.83 118.95 114.06 2fcc s ARG 3 Ca 0.00 -0.19 -0.09 0.00 -0.13 0.00 0.00 55.73 55.32 2fcc s ARG 3 Cb 0.00 -0.71 -0.04 0.00 -1.56 0.00 0.00 34.95 32.64 2fcc s ARG 3 CO 0.00 0.04 0.12 0.42 -0.81 0.00 0.00 175.30 175.08 2fcc s ILE 4 N 0.35 5.06 0.11 4.11 -1.09 -1.26 -4.69 121.20 123.80 2fcc s ILE 4 Ca -0.05 0.07 0.01 0.00 -2.23 0.00 0.00 60.65 58.46 2fcc s ILE 4 Cb -0.09 -3.34 -0.04 0.00 -1.58 0.00 0.00 42.46 37.41 2fcc s ILE 4 CO 0.00 0.38 0.26 0.20 -1.23 0.00 0.00 174.94 174.55 2fcc s ASN 5 N 0.95 6.36 0.00 3.58 0.01 -1.26 -5.00 114.94 119.57 2fcc s ASN 5 Ca 0.06 0.24 0.14 0.00 -0.71 0.00 0.00 52.86 52.58 2fcc s ASN 5 Cb -0.13 -1.94 -0.06 0.00 0.41 0.00 0.00 41.25 39.53 2fcc s ASN 5 CO 0.03 0.10 0.69 0.18 -1.51 0.00 0.00 177.10 176.59 2fcc n LEU 6 N -0.19 1.14 -4.84 0.60 4.77 -1.26 -5.02 117.00 112.21 2fcc n LEU 6 Ca -0.06 -0.66 -0.29 0.00 -0.03 0.00 0.00 56.01 54.97 2fcc n LEU 6 Cb 0.53 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.72 2fcc n LEU 6 CO 0.50 0.24 0.75 0.42 -1.33 0.00 0.00 177.39 177.96 2fcc s THR 7 N -1.91 2.16 -0.02 -5.08 -4.23 -1.26 -4.96 115.64 100.33 2fcc s THR 7 Ca 0.09 0.05 -0.30 0.00 -1.18 0.00 0.00 61.69 60.35 2fcc s THR 7 Cb 0.11 -2.92 -0.09 0.00 1.34 0.00 0.00 72.50 70.94 2fcc s THR 7 CO 0.42 -0.07 2.02 0.18 -0.54 0.00 0.00 174.62 176.64 2fcc n LEU 8 N -3.51 3.93 -0.32 4.79 4.77 -1.26 -4.88 117.00 120.51 2fcc n LEU 8 Ca 0.07 0.77 0.11 0.00 -0.03 0.00 0.00 56.01 56.93 2fcc n LEU 8 Cb 0.60 -1.52 0.33 0.00 -2.33 0.00 0.00 43.42 40.50 2fcc n LEU 8 CO 0.57 0.01 1.22 0.58 -1.33 0.00 0.00 177.39 178.44 2fcc h VAL 9 N 5.92 0.82 0.00 4.08 2.07 -1.97 -1.16 116.25 126.01 2fcc h VAL 9 Ca -0.48 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 66.77 2fcc h VAL 9 Cb 1.24 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 2fcc h VAL 9 CO 0.95 0.14 0.00 -1.54 0.02 0.00 0.00 177.57 177.14 2fcc n SER 10 N -4.62 0.60 -0.78 0.57 3.41 -1.26 -2.24 113.62 109.31 2fcc n SER 10 Ca 0.19 0.69 0.08 0.00 -0.26 0.00 0.00 58.87 59.58 2fcc n SER 10 Cb 0.47 -0.81 0.13 0.00 -0.26 0.00 0.00 64.21 63.75 2fcc n SER 10 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2fcc n GLU 11 N -2.22 1.93 -2.31 4.33 1.02 -0.44 -4.98 120.64 117.96 2fcc n GLU 11 Ca 0.01 -1.83 -0.37 0.00 -0.02 0.00 0.00 57.16 54.94 2fcc n GLU 11 Cb 0.15 -1.35 -0.02 0.00 -0.02 0.00 0.00 31.44 30.20 2fcc n GLU 11 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2fcc s LEU 12 N -1.22 4.08 0.58 -4.62 1.43 -0.95 -4.99 118.68 112.98 2fcc s LEU 12 Ca 0.26 2.27 -0.18 0.00 -1.03 0.00 0.00 54.13 55.45 2fcc s LEU 12 Cb 0.16 -4.18 -0.04 0.00 0.03 0.00 0.00 46.19 42.16 2fcc s LEU 12 CO 0.22 -0.79 1.11 0.00 0.23 0.00 0.00 176.35 177.13 2fcc s ALA 13 N -1.53 2.64 0.24 4.21 0.00 -1.26 -4.75 121.76 121.31 2fcc s ALA 13 Ca 0.61 0.69 -0.13 0.00 0.00 0.00 0.00 51.96 53.13 2fcc s ALA 13 Cb -0.28 -3.33 0.32 0.00 0.00 0.00 0.00 23.12 19.83 2fcc s ALA 13 CO 0.34 -0.90 1.57 -0.44 0.00 0.00 0.00 175.76 176.33 2fcc h ASP 14 N 0.80 -1.04 0.75 0.00 3.32 -0.06 0.90 116.42 121.09 2fcc h ASP 14 Ca -0.49 0.28 -0.09 0.00 0.02 0.00 0.00 57.03 56.74 2fcc h ASP 14 Cb 1.25 0.61 -0.01 0.00 0.22 0.00 0.00 39.33 41.40 2fcc h ASP 14 CO 0.56 -0.30 -0.45 1.56 -1.72 0.00 0.00 179.24 178.90 2fcc h GLN 15 N -0.02 0.00 0.00 3.56 7.50 -1.92 -1.65 115.11 122.59 2fcc h GLN 15 Ca 0.38 0.00 -0.13 0.00 0.50 0.00 0.00 58.65 59.40 2fcc h GLN 15 Cb 0.63 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.14 2fcc h GLN 15 CO -0.91 0.45 -0.62 0.45 -1.50 0.00 0.00 178.83 176.70 2fcc h HIS 16 N 0.00 0.00 0.16 2.96 3.86 -1.47 -2.51 115.15 118.15 2fcc h HIS 16 Ca -0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 2fcc h HIS 16 Cb 0.95 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.42 2fcc h HIS 16 CO 0.00 0.62 -0.08 1.25 0.86 0.00 0.00 177.93 180.59 2fcc h LEU 17 N 0.00 -0.18 -0.75 2.43 5.85 -0.54 -2.50 115.31 119.63 2fcc h LEU 17 Ca -0.01 -0.36 0.08 0.00 0.84 0.00 0.00 57.88 58.44 2fcc h LEU 17 Cb 1.32 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 42.33 2fcc h LEU 17 CO 0.08 0.33 0.42 -0.03 -0.34 0.00 0.00 178.44 178.90 2fcc h MET 18 N -0.77 0.70 -0.17 1.25 4.05 -1.37 -1.33 114.93 117.29 2fcc h MET 18 Ca -0.02 -0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 59.35 2fcc h MET 18 Cb 0.53 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 31.16 2fcc h MET 18 CO 0.04 0.46 0.10 0.00 0.23 0.00 0.00 176.91 177.74 2fcc h ALA 19 N 1.41 0.21 -0.22 0.39 0.00 -1.47 -2.36 119.26 117.22 2fcc h ALA 19 Ca 0.35 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.14 2fcc h ALA 19 Cb 0.30 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2fcc h ALA 19 CO -0.23 -0.28 -0.23 1.49 0.00 0.00 0.00 179.25 180.00 2fcc h GLU 20 N 0.19 0.41 -0.90 0.00 4.81 -1.16 -0.63 114.58 117.30 2fcc h GLU 20 Ca 0.06 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 2fcc h GLU 20 Cb 0.03 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 2fcc h GLU 20 CO -0.01 0.62 0.56 -0.92 -0.73 0.00 0.00 179.01 178.54 2fcc h TYR 21 N 0.37 1.17 0.00 0.92 3.20 -0.94 0.24 116.97 121.94 2fcc h TYR 21 Ca 0.06 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.94 2fcc h TYR 21 Cb 0.61 -0.39 0.00 0.00 1.54 0.00 0.00 36.73 38.50 2fcc h TYR 21 CO 0.02 0.76 -1.08 2.89 -1.64 0.00 0.00 178.16 179.11 2fcc n ARG 22 N -4.37 0.53 -0.02 1.82 1.85 -0.92 -4.38 116.66 111.17 2fcc n ARG 22 Ca 0.10 0.06 -0.18 0.00 -1.00 0.00 0.00 57.85 56.84 2fcc n ARG 22 Cb 0.05 -1.74 -0.14 0.00 -1.05 0.00 0.00 32.46 29.58 2fcc n ARG 22 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2fcc n GLU 23 N -2.46 0.72 -0.18 2.89 1.02 -0.27 -4.36 120.64 118.00 2fcc n GLU 23 Ca 0.00 0.24 -0.01 0.00 -0.02 0.00 0.00 57.16 57.38 2fcc n GLU 23 Cb 0.52 -1.70 0.08 0.00 -0.02 0.00 0.00 31.44 30.33 2fcc n GLU 23 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2fcc h LEU 24 N 0.05 -0.19 -2.51 -4.62 6.46 -1.15 0.32 115.31 113.66 2fcc h LEU 24 Ca -0.42 0.13 0.01 0.00 -0.12 0.00 0.00 57.88 57.48 2fcc h LEU 24 Cb 2.02 0.22 -0.00 0.00 -0.73 0.00 0.00 40.66 42.17 2fcc h LEU 24 CO 0.06 -0.07 0.14 -0.65 -0.62 0.00 0.00 178.44 177.30 2fcc h PRO 25 N 0.14 0.00 0.00 5.25 0.11 -1.78 -1.51 132.00 134.21 2fcc h PRO 25 Ca 0.29 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.39 2fcc h PRO 25 Cb 0.44 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.55 2fcc h PRO 25 CO -0.45 0.00 -0.01 0.00 -0.21 0.00 0.00 178.00 177.33 2fcc h ARG 26 N 0.00 0.00 -0.18 1.05 3.08 -1.14 -2.00 114.38 115.19 2fcc h ARG 26 Ca 0.02 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.90 2fcc h ARG 26 Cb 0.30 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 2fcc h ARG 26 CO -0.00 0.01 -0.59 0.28 -1.07 0.00 0.00 179.97 178.61 2fcc h VAL 27 N 0.00 1.32 0.12 2.04 2.07 -1.41 -2.28 116.25 118.11 2fcc h VAL 27 Ca -0.00 -1.85 -0.01 0.00 0.82 0.00 0.00 66.70 65.67 2fcc h VAL 27 Cb 0.04 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 2fcc h VAL 27 CO 0.00 0.57 -0.06 -0.26 0.02 0.00 0.00 177.57 177.85 2fcc h PHE 28 N 0.44 -0.15 -0.46 1.57 0.04 -1.53 -2.35 116.94 114.51 2fcc h PHE 28 Ca -0.00 -0.00 0.11 0.00 2.80 0.00 0.00 57.97 60.88 2fcc h PHE 28 Cb 1.15 0.05 -0.02 0.00 2.20 0.00 0.00 35.95 39.32 2fcc h PHE 28 CO 0.05 0.08 0.32 0.78 -0.60 0.00 0.00 178.31 178.94 2fcc h GLY 29 N -0.36 0.16 0.55 -1.45 0.00 -1.49 -0.27 103.07 100.20 2fcc h GLY 29 Ca -0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.25 2fcc h GLY 29 CO 0.03 0.03 -0.23 0.00 0.00 0.00 0.00 176.54 176.36 2fcc h ALA 30 N 1.77 -0.65 -0.76 3.60 0.00 -1.07 -2.45 119.26 119.71 2fcc h ALA 30 Ca 0.22 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 55.03 2fcc h ALA 30 Cb 0.71 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 2fcc h ALA 30 CO -0.02 -0.63 0.43 0.28 0.00 0.00 0.00 179.25 179.30 2fcc h VAL 31 N -1.11 0.94 0.00 0.00 2.07 -1.10 0.24 116.25 117.29 2fcc h VAL 31 Ca -0.07 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.20 2fcc h VAL 31 Cb 0.55 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 2fcc h VAL 31 CO 0.11 0.14 0.00 -0.09 0.02 0.00 0.00 177.57 177.75 2fcc h ARG 32 N 0.75 0.00 0.13 1.57 2.43 -1.11 -0.98 114.38 117.17 2fcc h ARG 32 Ca 0.35 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 59.18 2fcc h ARG 32 Cb 0.28 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 2fcc h ARG 32 CO -0.22 0.00 -1.78 -0.22 -1.51 0.00 0.00 179.97 176.24 2fcc h LYS 33 N 0.00 0.27 -0.15 0.20 1.63 -0.06 -3.27 116.57 115.19 2fcc h LYS 33 Ca 0.00 -0.46 -0.15 0.00 -0.85 0.00 0.00 60.65 59.19 2fcc h LYS 33 Cb 0.20 0.17 0.01 0.00 -0.60 0.00 0.00 32.23 32.01 2fcc h LYS 33 CO 0.00 1.14 -0.51 0.45 -3.45 0.00 0.00 179.45 177.08 2fcc h HIS 34 N 0.07 0.79 0.00 1.91 3.86 -0.36 -3.04 115.15 118.39 2fcc h HIS 34 Ca -0.34 -0.33 -0.02 0.00 -1.16 0.00 0.00 60.37 58.52 2fcc h HIS 34 Cb 2.05 -0.13 -0.00 0.00 1.06 0.00 0.00 27.41 30.38 2fcc h HIS 34 CO 0.07 1.11 -0.09 -0.39 0.86 0.00 0.00 177.93 179.49 2fcc h VAL 35 N 0.26 0.60 -0.03 2.45 -1.51 -1.39 0.28 116.25 116.91 2fcc h VAL 35 Ca -0.02 -0.38 0.00 0.00 -1.23 0.00 0.00 66.70 65.07 2fcc h VAL 35 Cb 1.13 1.24 0.00 0.00 -2.13 0.00 0.00 31.29 31.54 2fcc h VAL 35 CO 0.11 0.09 0.00 0.00 -1.23 0.00 0.00 177.57 176.53 2fcc n ALA 36 N -2.31 2.57 -2.00 5.19 0.00 -1.15 -2.04 120.51 120.77 2fcc n ALA 36 Ca -0.02 -0.10 -0.00 0.00 0.00 0.00 0.00 53.44 53.32 2fcc n ALA 36 Cb 0.19 -1.01 -0.00 0.00 0.00 0.00 0.00 19.45 18.64 2fcc n ALA 36 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2fcc n ASN 37 N 0.02 -0.00 -2.70 0.00 4.05 0.94 -5.05 115.26 112.53 2fcc n ASN 37 Ca 0.01 -1.41 -0.01 0.00 0.45 0.00 0.00 54.58 53.62 2fcc n ASN 37 Cb 0.29 -0.08 -0.01 0.00 1.23 0.00 0.00 39.78 41.21 2fcc n ASN 37 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2fcc n GLY 38 N 0.00 -4.55 3.08 8.20 0.00 -0.87 -5.04 105.19 106.02 2fcc n GLY 38 Ca -0.00 0.81 -0.12 0.00 0.00 0.00 0.00 46.02 46.72 2fcc n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fcc s LYS 39 N -1.39 0.38 0.34 1.61 -0.14 -1.23 -4.92 119.74 114.39 2fcc s LYS 39 Ca -0.07 -0.19 0.08 0.00 -1.36 0.00 0.00 55.97 54.43 2fcc s LYS 39 Cb 0.00 0.16 -0.04 0.00 -1.68 0.00 0.00 37.83 36.28 2fcc s LYS 39 CO 0.79 -0.08 0.19 1.03 -0.76 0.00 0.00 175.35 176.51 2fcc s ARG 40 N -0.89 2.47 0.48 1.68 1.81 -1.26 -4.73 118.95 118.51 2fcc s ARG 40 Ca -0.10 -1.48 0.21 0.00 -1.72 0.00 0.00 55.73 52.64 2fcc s ARG 40 Cb -0.05 -2.26 1.20 0.00 -0.45 0.00 0.00 34.95 33.39 2fcc s ARG 40 CO 0.01 0.10 2.01 0.28 -0.68 0.00 0.00 175.30 177.02 2fcc h VAL 41 N 1.46 0.83 0.00 3.52 2.07 -1.96 -0.09 116.25 122.08 2fcc h VAL 41 Ca -0.44 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.40 2fcc h VAL 41 Cb 1.25 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 2fcc h VAL 41 CO 0.62 0.17 -0.35 -1.14 0.02 0.00 0.00 177.57 176.89 2fcc n ARG 42 N -3.90 0.17 0.00 1.57 3.00 -1.26 -3.35 116.66 112.89 2fcc n ARG 42 Ca -0.02 0.08 0.11 0.00 -0.00 0.00 0.00 57.85 58.02 2fcc n ARG 42 Cb 0.27 -1.64 0.67 0.00 0.00 0.00 0.00 32.46 31.75 2fcc n ARG 42 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2fcc n ASP 43 N -1.91 0.00 -4.35 6.15 9.92 -0.05 -4.75 116.55 121.56 2fcc n ASP 43 Ca 0.05 -0.79 -0.28 0.00 -0.53 0.00 0.00 54.79 53.24 2fcc n ASP 43 Cb 0.40 0.00 -0.13 0.00 -0.64 0.00 0.00 41.12 40.74 2fcc n ASP 43 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2fcc s PHE 44 N -2.00 2.20 -1.47 1.24 0.08 -1.21 -4.90 117.98 111.91 2fcc s PHE 44 Ca 0.34 -0.39 -0.08 0.00 0.12 0.00 0.00 56.93 56.91 2fcc s PHE 44 Cb 0.15 -1.23 -0.03 0.00 -0.57 0.00 0.00 43.02 41.35 2fcc s PHE 44 CO 0.26 0.26 2.80 1.17 -0.10 0.00 0.00 175.22 179.61 2fcc n LYS 45 N 1.19 3.93 -2.11 0.44 4.81 -1.26 -4.92 118.16 120.24 2fcc n LYS 45 Ca -0.18 -2.57 -0.41 0.00 -0.87 0.00 0.00 58.31 54.28 2fcc n LYS 45 Cb 0.53 -2.71 -0.03 0.00 0.02 0.00 0.00 35.03 32.84 2fcc n LYS 45 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2fcc s ILE 46 N 1.02 3.52 0.35 3.15 1.01 -1.26 -4.87 121.20 124.12 2fcc s ILE 46 Ca 0.65 0.45 -0.26 0.00 0.00 0.00 0.00 60.65 61.49 2fcc s ILE 46 Cb 0.19 -3.93 -0.13 0.00 0.01 0.00 0.00 42.46 38.60 2fcc s ILE 46 CO -0.07 -0.75 0.92 -0.24 0.00 0.00 0.00 174.94 174.79 2fcc n SER 47 N 11.00 0.84 0.04 3.58 2.88 -1.26 -4.86 113.62 125.83 2fcc n SER 47 Ca 0.20 1.08 0.11 0.00 -1.33 0.00 0.00 58.87 58.93 2fcc n SER 47 Cb 0.49 -1.27 0.46 0.00 -0.75 0.00 0.00 64.21 63.15 2fcc n SER 47 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2fcc n PRO 48 N 0.50 0.08 -4.03 -1.46 -0.04 -1.26 -4.81 135.00 123.99 2fcc n PRO 48 Ca 0.10 0.18 -0.10 0.00 -0.04 0.00 0.00 63.50 63.64 2fcc n PRO 48 Cb 0.36 -1.61 -0.11 0.00 -0.04 0.00 0.00 33.50 32.09 2fcc n PRO 48 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2fcc s THR 49 N -3.07 0.31 0.19 0.52 -4.23 -1.26 -5.13 115.64 102.97 2fcc s THR 49 Ca 0.10 -1.09 -0.32 0.00 -1.18 0.00 0.00 61.69 59.19 2fcc s THR 49 Cb 0.13 -0.56 -0.11 0.00 1.34 0.00 0.00 72.50 73.30 2fcc s THR 49 CO 0.44 -0.51 1.72 0.12 -0.54 0.00 0.00 174.62 175.85 2fcc s PHE 50 N -1.73 2.80 0.04 3.99 5.36 -1.26 -5.00 117.98 122.18 2fcc s PHE 50 Ca -0.11 0.32 -0.09 0.00 -0.96 0.00 0.00 56.93 56.09 2fcc s PHE 50 Cb -0.08 -4.12 0.00 0.00 -0.34 0.00 0.00 43.02 38.48 2fcc s PHE 50 CO -0.01 -4.29 0.18 0.96 -1.46 0.00 0.00 175.22 170.59 2fcc s ILE 51 N 1.44 0.11 0.35 3.12 -0.00 -1.26 -5.03 121.20 119.94 2fcc s ILE 51 Ca 0.75 -0.94 0.07 0.00 -0.00 0.00 0.00 60.65 60.53 2fcc s ILE 51 Cb -0.48 -0.94 -0.01 0.00 -0.00 0.00 0.00 42.46 41.03 2fcc s ILE 51 CO 0.33 -0.52 0.45 -0.76 -0.00 0.00 0.00 174.94 174.44 2fcc s LEU 52 N -2.15 3.82 0.00 0.37 1.43 -1.26 -4.19 118.68 116.71 2fcc s LEU 52 Ca -0.04 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 2fcc s LEU 52 Cb -0.01 -2.60 0.00 0.00 0.03 0.00 0.00 46.19 43.61 2fcc s LEU 52 CO -0.04 -0.48 0.00 0.61 0.23 0.00 0.00 176.35 176.66 2fcc n GLY 53 N -1.62 0.70 3.67 -3.19 0.00 -1.26 -4.69 105.19 98.80 2fcc n GLY 53 Ca 0.01 -0.70 -0.43 0.00 0.00 0.00 0.00 46.02 44.90 2fcc n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fcc n ALA 54 N 9.59 1.70 -0.17 4.61 0.00 -1.26 -1.95 120.51 133.04 2fcc n ALA 54 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2fcc n ALA 54 Cb 0.00 -2.62 0.00 0.00 0.00 0.00 0.00 19.45 16.83 2fcc n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fcc n GLY 55 N 4.40 1.47 0.20 0.00 0.00 -1.26 -4.96 105.19 105.04 2fcc n GLY 55 Ca 0.20 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.17 2fcc n GLY 55 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2fcc h HIS 56 N 0.00 -0.32 -0.14 1.61 6.17 -1.55 0.86 115.15 121.78 2fcc h HIS 56 Ca 0.00 0.04 -0.02 0.00 0.71 0.00 0.00 60.37 61.10 2fcc h HIS 56 Cb 0.00 0.20 -0.00 0.00 2.52 0.00 0.00 27.41 30.13 2fcc h HIS 56 CO 0.00 -0.22 -0.00 0.28 0.71 0.00 0.00 177.93 178.70 2fcc h VAL 57 N -0.05 1.26 -0.95 5.26 2.07 -1.88 -3.00 116.25 118.95 2fcc h VAL 57 Ca 0.19 -0.84 0.16 0.00 0.82 0.00 0.00 66.70 67.03 2fcc h VAL 57 Cb 0.35 1.54 -0.10 0.00 -1.52 0.00 0.00 31.29 31.57 2fcc h VAL 57 CO -0.43 0.25 0.56 0.74 0.02 0.00 0.00 177.57 178.70 2fcc h THR 58 N -0.02 0.77 -0.16 2.57 2.02 -1.85 -1.11 112.91 115.12 2fcc h THR 58 Ca 0.04 -0.27 0.05 0.00 0.77 0.00 0.00 66.41 67.00 2fcc h THR 58 Cb 0.38 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 2fcc h THR 58 CO 0.01 0.14 0.50 0.15 0.37 0.00 0.00 175.52 176.69 2fcc h PHE 59 N 0.77 0.00 -0.51 3.16 3.57 -0.69 0.14 116.94 123.39 2fcc h PHE 59 Ca 0.52 0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.02 2fcc h PHE 59 Cb 0.72 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.46 2fcc h PHE 59 CO -0.03 0.00 0.00 1.19 -2.23 0.00 0.00 178.31 177.24 2fcc n PHE 60 N -3.06 0.67 0.13 0.41 3.01 -0.42 -4.50 117.46 113.69 2fcc n PHE 60 Ca 0.02 -0.40 0.04 0.00 1.01 0.00 0.00 57.45 58.13 2fcc n PHE 60 Cb 0.59 -0.01 0.47 0.00 -0.01 0.00 0.00 39.48 40.52 2fcc n PHE 60 CO 0.00 0.00 0.00 1.88 1.01 0.00 0.00 176.76 179.65 2fcc h TYR 61 N 3.73 0.24 -0.47 1.38 0.05 -0.81 -2.11 116.97 118.98 2fcc h TYR 61 Ca 0.00 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.77 2fcc h TYR 61 Cb 0.90 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 38.57 2fcc h TYR 61 CO 0.33 0.25 0.00 -0.40 -1.05 0.00 0.00 178.16 177.29 2fcc n ASP 62 N -4.40 4.99 -1.59 3.88 5.75 -1.26 -4.36 116.55 119.57 2fcc n ASP 62 Ca -0.00 -2.91 0.01 0.00 -0.01 0.00 0.00 54.79 51.87 2fcc n ASP 62 Cb 0.16 -0.62 0.07 0.00 -1.03 0.00 0.00 41.12 39.70 2fcc n ASP 62 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2fcc n LYS 63 N 0.27 1.04 0.31 0.11 5.02 -0.79 -2.76 118.16 121.36 2fcc n LYS 63 Ca 0.25 -2.80 0.19 0.00 -2.02 0.00 0.00 58.31 53.94 2fcc n LYS 63 Cb 1.06 -0.90 1.05 0.00 -0.02 0.00 0.00 35.03 36.22 2fcc n LYS 63 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2fcc h LEU 64 N 1.42 0.00 -0.44 -0.35 3.38 -1.45 0.15 115.31 118.02 2fcc h LEU 64 Ca -0.10 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.74 2fcc h LEU 64 Cb 1.53 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.27 2fcc h LEU 64 CO 0.15 0.00 -0.63 -0.08 0.09 0.00 0.00 178.44 177.98 2fcc h GLU 65 N 0.00 0.00 -0.27 1.13 4.57 -1.58 -0.04 114.58 118.39 2fcc h GLU 65 Ca 0.01 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.13 2fcc h GLU 65 Cb 0.14 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 2fcc h GLU 65 CO -0.00 0.63 -0.06 0.35 -1.18 0.00 0.00 179.01 178.75 2fcc h PHE 66 N 0.00 0.58 -0.17 0.92 3.57 -0.56 -2.87 116.94 118.42 2fcc h PHE 66 Ca -0.01 -0.12 -0.02 0.00 3.53 0.00 0.00 57.97 61.35 2fcc h PHE 66 Cb 1.28 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.88 2fcc h PHE 66 CO 0.00 0.72 0.02 -0.07 -2.23 0.00 0.00 178.31 176.74 2fcc h LEU 67 N 0.28 0.27 -0.54 0.59 3.38 -1.33 -1.73 115.31 116.23 2fcc h LEU 67 Ca 0.07 -0.28 0.10 0.00 0.09 0.00 0.00 57.88 57.86 2fcc h LEU 67 Cb 0.52 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.12 2fcc h LEU 67 CO 0.02 0.48 0.10 -0.09 0.09 0.00 0.00 178.44 179.05 2fcc h ARG 68 N 0.05 0.23 -0.25 1.13 2.43 -1.02 0.61 114.38 117.57 2fcc h ARG 68 Ca 0.05 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 2fcc h ARG 68 Cb 0.33 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 2fcc h ARG 68 CO 0.01 0.15 -0.21 0.87 -1.51 0.00 0.00 179.97 179.28 2fcc h LYS 69 N 0.24 0.45 -0.24 0.20 1.57 -1.43 -2.21 116.57 115.14 2fcc h LYS 69 Ca 0.28 -0.15 -0.19 0.00 -1.87 0.00 0.00 60.65 58.72 2fcc h LYS 69 Cb 0.39 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.67 2fcc h LYS 69 CO -0.37 0.64 -0.59 -0.09 -0.57 0.00 0.00 179.45 178.47 2fcc h ARG 70 N 0.40 0.78 -0.50 3.15 2.43 0.02 -2.95 114.38 117.72 2fcc h ARG 70 Ca 0.07 -0.52 0.01 0.00 -0.81 0.00 0.00 59.98 58.73 2fcc h ARG 70 Cb 0.59 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.19 2fcc h ARG 70 CO 0.04 1.14 0.33 0.37 -1.51 0.00 0.00 179.97 180.34 2fcc h GLN 71 N 0.59 0.62 -0.52 0.20 5.75 0.46 0.20 115.11 122.40 2fcc h GLN 71 Ca 0.00 -0.04 -0.04 0.00 -0.15 0.00 0.00 58.65 58.43 2fcc h GLN 71 Cb 1.18 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 29.57 2fcc h GLN 71 CO 0.12 0.41 0.17 0.82 -2.65 0.00 0.00 178.83 177.70 2fcc h ILE 72 N 0.63 1.21 -0.09 2.39 2.04 -1.23 -0.99 117.51 121.46 2fcc h ILE 72 Ca 0.19 -0.70 -0.12 0.00 1.00 0.00 0.00 64.86 65.23 2fcc h ILE 72 Cb -0.01 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 2fcc h ILE 72 CO -0.04 0.27 -0.40 -0.33 0.00 0.00 0.00 178.15 177.65 2fcc h GLU 73 N 0.76 0.43 -0.59 2.37 5.08 -0.97 -2.85 114.58 118.81 2fcc h GLU 73 Ca 0.18 -0.34 0.06 0.00 -1.00 0.00 0.00 59.36 58.26 2fcc h GLU 73 Cb 0.22 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.48 2fcc h GLU 73 CO -0.01 0.97 0.29 -0.07 -1.00 0.00 0.00 179.01 179.20 2fcc h LEU 74 N -0.01 0.40 0.07 1.33 3.38 -0.83 -0.20 115.31 119.45 2fcc h LEU 74 Ca -0.02 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2fcc h LEU 74 Cb 1.04 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.76 2fcc h LEU 74 CO 0.08 0.26 -0.03 0.40 0.09 0.00 0.00 178.44 179.24 2fcc h ILE 75 N 0.55 0.94 -0.84 1.22 2.04 -1.23 -1.22 117.51 118.97 2fcc h ILE 75 Ca 0.27 -0.03 0.03 0.00 1.00 0.00 0.00 64.86 66.12 2fcc h ILE 75 Cb 0.21 0.96 -0.05 0.00 -0.74 0.00 0.00 36.82 37.21 2fcc h ILE 75 CO -0.20 0.01 0.54 0.00 0.00 0.00 0.00 178.15 178.50 2fcc h ALA 76 N 0.83 1.09 -0.39 1.87 0.00 -1.18 -2.07 119.26 119.41 2fcc h ALA 76 Ca -0.01 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2fcc h ALA 76 Cb 0.08 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2fcc h ALA 76 CO 0.02 0.39 0.01 1.49 0.00 0.00 0.00 179.25 181.17 2fcc h GLU 77 N 1.07 0.67 -0.85 0.00 4.57 -0.87 0.06 114.58 119.23 2fcc h GLU 77 Ca 0.33 -0.21 0.07 0.00 -1.18 0.00 0.00 59.36 58.37 2fcc h GLU 77 Cb -0.03 -0.06 -0.07 0.00 -0.16 0.00 0.00 28.75 28.43 2fcc h GLU 77 CO -0.10 0.76 0.52 0.00 -1.18 0.00 0.00 179.01 179.00 2fcc h LEU 79 N 0.92 1.02 -1.07 0.00 3.38 -1.05 -0.37 115.31 118.13 2fcc h LEU 79 Ca 0.38 -0.42 0.04 0.00 0.09 0.00 0.00 57.88 57.97 2fcc h LEU 79 Cb 0.24 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 2fcc h LEU 79 CO -0.20 1.21 0.63 0.11 0.09 0.00 0.00 178.44 180.28 2fcc h LYS 80 N 0.82 1.17 -0.00 1.13 1.57 -0.23 -1.58 116.57 119.45 2fcc h LYS 80 Ca 0.10 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2fcc h LYS 80 Cb 0.85 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.89 2fcc h LYS 80 CO 0.07 0.78 0.00 0.54 -0.57 0.00 0.00 179.45 180.27 2fcc n ARG 81 N -4.44 1.12 -0.96 3.15 1.74 -0.60 -4.91 116.66 111.76 2fcc n ARG 81 Ca 0.13 -0.17 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 2fcc n ARG 81 Cb 0.10 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.04 2fcc n ARG 81 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2fcc n GLY 82 N 1.03 0.47 3.76 -0.13 0.00 -0.60 -4.97 105.19 104.75 2fcc n GLY 82 Ca 0.23 -0.94 -0.40 0.00 0.00 0.00 0.00 46.02 44.91 2fcc n GLY 82 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2fcc s PHE 83 N -2.00 3.68 -1.22 1.61 0.40 -0.17 -4.94 117.98 115.34 2fcc s PHE 83 Ca 0.00 1.76 -0.06 0.00 -0.60 0.00 0.00 56.93 58.03 2fcc s PHE 83 Cb 0.00 -3.20 0.20 0.00 0.51 0.00 0.00 43.02 40.54 2fcc s PHE 83 CO 0.00 -0.28 1.92 0.09 0.70 0.00 0.00 175.22 177.65 2fcc n ASN 84 N 1.23 6.47 -4.79 1.36 3.02 -1.26 -4.56 115.26 116.72 2fcc n ASN 84 Ca -0.01 -3.26 -0.36 0.00 -0.03 0.00 0.00 54.58 50.92 2fcc n ASN 84 Cb 0.45 -1.36 -0.06 0.00 -0.61 0.00 0.00 39.78 38.20 2fcc n ASN 84 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2fcc s ILE 85 N -1.33 4.29 -0.09 2.41 -4.36 -1.26 -5.01 121.20 115.85 2fcc s ILE 85 Ca 0.41 1.70 -0.14 0.00 -0.26 0.00 0.00 60.65 62.37 2fcc s ILE 85 Cb 0.12 -3.91 -0.28 0.00 1.25 0.00 0.00 42.46 39.64 2fcc s ILE 85 CO -0.02 0.06 0.56 0.11 0.24 0.00 0.00 174.94 175.90 2fcc h LYS 86 N 2.95 0.29 -6.01 0.37 1.79 -2.04 -3.43 116.57 110.48 2fcc h LYS 86 Ca -0.47 -0.49 -0.59 0.00 -2.18 0.00 0.00 60.65 56.91 2fcc h LYS 86 Cb 1.19 0.18 -0.11 0.00 -1.58 0.00 0.00 32.23 31.91 2fcc h LYS 86 CO 0.64 1.24 0.73 -0.51 -1.08 0.00 0.00 179.45 180.47 2fcc s ASP 87 N -7.11 6.30 -0.20 0.86 1.01 -1.26 -4.87 116.67 111.40 2fcc s ASP 87 Ca -0.19 -0.40 0.16 0.00 0.71 0.00 0.00 52.55 52.83 2fcc s ASP 87 Cb 0.05 -2.48 0.58 0.00 1.01 0.00 0.00 42.92 42.08 2fcc s ASP 87 CO 0.79 -1.42 1.48 0.35 0.21 0.00 0.00 175.17 176.58 2fcc n THR 88 N 6.27 2.39 -3.82 -1.27 -2.24 -1.26 -4.94 114.28 109.40 2fcc n THR 88 Ca 0.02 -1.85 -0.13 0.00 -2.27 0.00 0.00 64.05 59.82 2fcc n THR 88 Cb 0.48 -0.27 -0.14 0.00 -2.10 0.00 0.00 70.33 68.30 2fcc n THR 88 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2fcc s THR 89 N -2.85 -0.02 0.12 4.28 -4.23 -1.26 -5.01 115.64 106.67 2fcc s THR 89 Ca 0.44 0.06 -0.30 0.00 -1.18 0.00 0.00 61.69 60.71 2fcc s THR 89 Cb 0.36 -0.12 -0.07 0.00 1.34 0.00 0.00 72.50 74.01 2fcc s THR 89 CO 0.10 0.03 1.24 -0.69 -0.54 0.00 0.00 174.62 174.75 2fcc s VAL 90 N 0.38 3.69 0.84 2.29 1.01 -1.26 -4.97 120.40 122.38 2fcc s VAL 90 Ca -0.03 1.29 -0.13 0.00 0.00 0.00 0.00 61.98 63.12 2fcc s VAL 90 Cb -0.04 -3.83 0.08 0.00 0.00 0.00 0.00 36.38 32.60 2fcc s VAL 90 CO -0.01 0.14 1.06 0.00 0.00 0.00 0.00 175.10 176.29 2fcc n GLN 91 N 3.37 -0.00 -2.79 2.72 10.64 -1.26 -4.95 117.38 125.11 2fcc n GLN 91 Ca 0.08 0.07 -0.42 0.00 -1.83 0.00 0.00 57.00 54.90 2fcc n GLN 91 Cb 0.45 -2.32 -0.03 0.00 -0.86 0.00 0.00 30.24 27.48 2fcc n GLN 91 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 2fcc s ASP 92 N -2.17 7.23 -0.04 2.61 2.15 -1.26 -4.93 116.67 120.25 2fcc s ASP 92 Ca 0.70 1.49 0.07 0.00 0.43 0.00 0.00 52.55 55.23 2fcc s ASP 92 Cb -0.27 -2.52 0.12 0.00 -0.30 0.00 0.00 42.92 39.94 2fcc s ASP 92 CO 0.55 -0.28 1.07 2.30 -0.17 0.00 0.00 175.17 178.63 2fcc n ILE 93 N 4.09 1.30 0.28 4.11 -5.35 -1.26 -4.66 119.36 117.87 2fcc n ILE 93 Ca 0.05 -1.40 0.15 0.00 -0.27 0.00 0.00 62.75 61.29 2fcc n ILE 93 Cb 0.50 0.26 0.75 0.00 -1.74 0.00 0.00 39.64 39.42 2fcc n ILE 93 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 2fcc h SER 94 N 0.17 0.00 -0.08 7.28 4.64 -2.02 -1.39 113.55 122.14 2fcc h SER 94 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2fcc h SER 94 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 2fcc h SER 94 CO 0.01 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.07 2fcc n ASP 95 N -2.59 1.04 -4.35 4.97 5.75 -1.26 -4.78 116.55 115.32 2fcc n ASP 95 Ca -0.01 -2.06 -0.32 0.00 -0.01 0.00 0.00 54.79 52.40 2fcc n ASP 95 Cb 0.12 -0.29 -0.15 0.00 -1.03 0.00 0.00 41.12 39.77 2fcc n ASP 95 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2fcc s ILE 96 N -1.55 2.40 -0.38 2.12 1.01 -0.53 -5.07 121.20 119.19 2fcc s ILE 96 Ca 0.07 -0.97 -0.44 0.00 0.00 0.00 0.00 60.65 59.31 2fcc s ILE 96 Cb 0.04 -1.88 -0.18 0.00 0.01 0.00 0.00 42.46 40.45 2fcc s ILE 96 CO 0.03 0.58 1.63 -2.65 0.00 0.00 0.00 174.94 174.53 2fcc n PRO 97 N 2.55 0.49 -0.62 2.79 -0.02 -1.26 -4.79 135.00 134.14 2fcc n PRO 97 Ca -0.17 0.18 0.49 0.00 -2.02 0.00 0.00 63.50 61.98 2fcc n PRO 97 Cb 0.52 -1.76 0.79 0.00 -0.02 0.00 0.00 33.50 33.03 2fcc n PRO 97 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2fcc h GLN 98 N 5.82 0.01 0.00 -0.52 -0.00 -1.95 0.26 115.11 118.72 2fcc h GLN 98 Ca -0.45 -0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.17 2fcc h GLN 98 Cb 1.35 -0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.82 2fcc h GLN 98 CO 0.96 0.01 -0.14 1.05 0.00 0.00 0.00 178.83 180.70 2fcc h GLU 99 N 0.01 0.00 0.00 1.69 4.11 -1.99 -2.46 114.58 115.94 2fcc h GLU 99 Ca 0.88 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 60.09 2fcc h GLU 99 Cb 3.42 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 32.64 2fcc h GLU 99 CO -0.07 0.14 -1.15 0.74 0.07 0.00 0.00 179.01 178.74 2fcc h PHE 100 N 0.00 0.00 -0.26 2.06 0.04 -0.74 -3.39 116.94 114.65 2fcc h PHE 100 Ca -0.00 0.00 -0.39 0.00 2.80 0.00 0.00 57.97 60.38 2fcc h PHE 100 Cb 0.40 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.48 2fcc h PHE 100 CO 0.00 0.93 0.89 0.54 -0.60 0.00 0.00 178.31 180.06 2fcc n ARG 101 N -3.24 2.64 -3.18 1.51 1.74 -0.93 -2.12 116.66 113.08 2fcc n ARG 101 Ca -0.05 -1.67 -0.25 0.00 -0.77 0.00 0.00 57.85 55.11 2fcc n ARG 101 Cb 0.94 -2.25 -0.01 0.00 -1.02 0.00 0.00 32.46 30.12 2fcc n ARG 101 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2fcc s GLY 102 N 1.64 1.44 0.00 -0.13 0.00 -1.11 -4.27 107.32 104.89 2fcc s GLY 102 Ca 0.65 -0.77 0.00 0.00 0.00 0.00 0.00 44.72 44.61 2fcc s GLY 102 CO -0.06 -0.67 0.00 1.34 0.00 0.00 0.00 173.10 173.71 2fcc n ASP 103 N -1.81 0.00 -3.64 1.64 -0.08 -1.26 -1.98 116.55 109.42 2fcc n ASP 103 Ca -0.03 -0.80 -0.04 0.00 -1.51 0.00 0.00 54.79 52.41 2fcc n ASP 103 Cb 0.56 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.95 2fcc n ASP 103 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 2fcc s TYR 104 N -0.01 -0.32 -0.20 -0.67 5.04 -1.26 -4.73 117.35 115.20 2fcc s TYR 104 Ca 0.00 0.72 -0.00 0.00 -2.44 0.00 0.00 57.07 55.35 2fcc s TYR 104 Cb 0.00 0.35 0.05 0.00 0.35 0.00 0.00 41.96 42.71 2fcc s TYR 104 CO 0.00 -0.16 -0.04 0.42 -1.34 0.00 0.00 175.55 174.43 2fcc s ILE 105 N 0.53 1.22 0.42 3.14 1.01 -1.26 -4.96 121.20 121.31 2fcc s ILE 105 Ca 0.00 -0.89 -0.22 0.00 0.00 0.00 0.00 60.65 59.55 2fcc s ILE 105 Cb -0.04 -1.48 -0.10 0.00 0.01 0.00 0.00 42.46 40.85 2fcc s ILE 105 CO -0.11 -0.02 0.99 -2.84 0.00 0.00 0.00 174.94 172.96 2fcc s PRO 106 N 1.56 4.17 0.63 2.79 0.02 -1.26 -5.06 135.00 137.85 2fcc s PRO 106 Ca -0.02 1.28 -0.12 0.00 0.02 0.00 0.00 61.00 62.16 2fcc s PRO 106 Cb -0.17 -2.32 -0.03 0.00 0.02 0.00 0.00 34.50 32.00 2fcc s PRO 106 CO -0.07 -0.10 1.04 -1.01 -0.33 0.00 0.00 177.00 176.53 2fcc s HIS 107 N -1.95 3.38 0.26 6.54 3.76 -1.26 -4.89 115.29 121.13 2fcc s HIS 107 Ca 0.61 1.38 -0.01 0.00 -0.15 0.00 0.00 55.06 56.88 2fcc s HIS 107 Cb -0.15 -2.81 0.53 0.00 1.11 0.00 0.00 32.58 31.27 2fcc s HIS 107 CO 0.19 -0.87 1.75 1.05 -0.85 0.00 0.00 174.74 176.01 2fcc h GLU 108 N -0.24 0.57 -0.96 1.40 9.09 -1.99 -1.06 114.58 121.39 2fcc h GLU 108 Ca -0.44 -0.03 0.11 0.00 0.05 0.00 0.00 59.36 59.04 2fcc h GLU 108 Cb 1.20 -0.13 -0.08 0.00 -1.65 0.00 0.00 28.75 28.09 2fcc h GLU 108 CO 0.60 0.38 0.59 0.00 0.05 0.00 0.00 179.01 180.62 2fcc h ALA 109 N 1.56 1.41 -0.27 1.06 0.00 -1.99 -0.88 119.26 120.15 2fcc h ALA 109 Ca 0.46 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.27 2fcc h ALA 109 Cb 0.67 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2fcc h ALA 109 CO -0.38 0.21 -0.35 0.77 0.00 0.00 0.00 179.25 179.51 2fcc h SER 110 N 0.96 0.62 0.98 0.00 0.02 -1.57 -1.46 113.55 113.10 2fcc h SER 110 Ca 0.46 -0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 61.16 2fcc h SER 110 Cb 0.42 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.79 2fcc h SER 110 CO -0.25 0.92 -0.00 0.40 -1.14 0.00 0.00 176.83 176.76 2fcc h ILE 111 N 0.50 0.00 0.16 3.27 2.04 -0.81 -2.14 117.51 120.53 2fcc h ILE 111 Ca 0.05 -0.49 -0.33 0.00 1.00 0.00 0.00 64.86 65.09 2fcc h ILE 111 Cb 0.85 1.49 0.01 0.00 -0.74 0.00 0.00 36.82 38.42 2fcc h ILE 111 CO 0.07 0.00 -1.62 0.00 0.00 0.00 0.00 178.15 176.60 2fcc h ALA 112 N 2.00 0.18 -0.57 1.87 0.00 -0.69 -2.19 119.26 119.85 2fcc h ALA 112 Ca -0.00 -1.10 -0.02 0.00 0.00 0.00 0.00 54.91 53.80 2fcc h ALA 112 Cb 0.49 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 2fcc h ALA 112 CO 0.00 1.04 0.29 0.82 0.00 0.00 0.00 179.25 181.40 2fcc h ILE 113 N 0.09 1.18 -0.03 0.00 2.04 -0.94 -0.23 117.51 119.63 2fcc h ILE 113 Ca -0.29 -0.49 -0.03 0.00 1.00 0.00 0.00 64.86 65.05 2fcc h ILE 113 Cb 2.07 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 38.59 2fcc h ILE 113 CO 0.18 0.21 -0.10 -1.28 0.00 0.00 0.00 178.15 177.16 2fcc h SER 114 N 0.80 0.14 -0.17 1.72 0.87 -1.45 -3.02 113.55 112.45 2fcc h SER 114 Ca 0.20 -0.61 -0.01 0.00 -1.23 0.00 0.00 61.79 60.14 2fcc h SER 114 Cb 0.06 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 2fcc h SER 114 CO -0.03 0.73 0.08 -0.61 -0.53 0.00 0.00 176.83 176.48 2fcc h GLN 115 N -0.44 0.28 -0.08 2.24 5.75 -1.13 -1.96 115.11 119.77 2fcc h GLN 115 Ca -0.00 -0.03 -0.17 0.00 -0.15 0.00 0.00 58.65 58.30 2fcc h GLN 115 Cb 0.72 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.20 2fcc h GLN 115 CO 0.02 0.23 -0.70 0.00 -2.65 0.00 0.00 178.83 175.73 2fcc h ALA 116 N 1.82 0.66 -0.38 3.38 0.00 -1.08 -1.13 119.26 122.52 2fcc h ALA 116 Ca 0.07 -0.59 -0.04 0.00 0.00 0.00 0.00 54.91 54.35 2fcc h ALA 116 Cb 0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2fcc h ALA 116 CO -0.01 0.76 0.07 -0.09 0.00 0.00 0.00 179.25 179.98 2fcc h ARG 117 N 0.25 0.63 -0.11 0.00 9.65 -1.23 0.07 114.38 123.63 2fcc h ARG 117 Ca -0.02 -0.17 0.00 0.00 -1.10 0.00 0.00 59.98 58.70 2fcc h ARG 117 Cb 1.26 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.75 2fcc h ARG 117 CO 0.12 0.68 0.07 -0.07 2.80 0.00 0.00 179.97 183.56 2fcc h LEU 118 N 0.48 0.11 -1.10 3.80 3.38 -1.29 -1.56 115.31 119.13 2fcc h LEU 118 Ca 0.12 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2fcc h LEU 118 Cb 0.35 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 2fcc h LEU 118 CO 0.01 0.08 0.43 0.44 0.09 0.00 0.00 178.44 179.49 2fcc h ASP 119 N 0.14 0.93 -0.76 -0.43 3.32 -1.06 -1.44 116.42 117.12 2fcc h ASP 119 Ca 0.04 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 56.97 2fcc h ASP 119 Cb -0.01 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.27 2fcc h ASP 119 CO -0.02 0.74 0.28 -0.08 -1.72 0.00 0.00 179.24 178.44 2fcc h GLU 120 N 1.06 1.16 -0.51 3.56 4.81 -0.69 -2.17 114.58 121.79 2fcc h GLU 120 Ca 0.27 -0.23 -0.12 0.00 -0.13 0.00 0.00 59.36 59.15 2fcc h GLU 120 Cb 0.01 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.19 2fcc h GLU 120 CO -0.05 0.96 -0.15 0.87 -0.73 0.00 0.00 179.01 179.92 2fcc h LYS 121 N 1.11 1.00 -0.59 1.92 1.79 -0.60 -3.11 116.57 118.09 2fcc h LYS 121 Ca 0.25 -0.39 -0.10 0.00 -2.18 0.00 0.00 60.65 58.23 2fcc h LYS 121 Cb 0.26 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.83 2fcc h LYS 121 CO -0.02 1.07 -0.02 0.82 -1.08 0.00 0.00 179.45 180.22 2fcc h ILE 122 N 0.88 1.27 0.00 1.86 2.04 -1.07 -2.68 117.51 119.81 2fcc h ILE 122 Ca 0.13 -1.17 0.00 0.00 1.00 0.00 0.00 64.86 64.82 2fcc h ILE 122 Cb 0.71 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 2fcc h ILE 122 CO 0.05 0.42 0.00 0.00 0.00 0.00 0.00 178.15 178.63 2fcc n ALA 123 N -2.48 1.23 0.18 1.87 0.00 -0.84 -0.68 120.51 119.79 2fcc n ALA 123 Ca 0.02 0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.60 2fcc n ALA 123 Cb 0.35 -1.18 0.10 0.00 0.00 0.00 0.00 19.45 18.72 2fcc n ALA 123 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2fcc h GLN 124 N 0.00 0.00 -0.33 0.00 4.20 -1.48 -3.39 115.11 114.11 2fcc h GLN 124 Ca 0.00 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.44 2fcc h GLN 124 Cb 0.10 0.00 -0.21 0.00 0.30 0.00 0.00 27.48 27.67 2fcc h GLN 124 CO 0.00 0.18 -0.58 0.54 -0.67 0.00 0.00 178.83 178.30 2fcc n ARG 125 N -3.10 1.11 -0.23 1.46 1.74 -0.44 -5.03 116.66 112.18 2fcc n ARG 125 Ca 0.02 -2.21 0.20 0.00 -0.77 0.00 0.00 57.85 55.10 2fcc n ARG 125 Cb 0.61 -0.68 0.53 0.00 -1.02 0.00 0.00 32.46 31.91 2fcc n ARG 125 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2fcc h PRO 126 N 2.55 0.35 0.00 5.56 0.13 -1.10 -0.84 132.00 138.65 2fcc h PRO 126 Ca -0.16 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 2fcc h PRO 126 Cb 1.19 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2fcc h PRO 126 CO 0.13 0.23 -0.01 1.79 -0.23 0.00 0.00 178.00 179.91 2fcc h THR 127 N 0.36 0.00 0.10 1.56 1.35 -1.87 -3.29 112.91 111.12 2fcc h THR 127 Ca 0.46 -0.69 -0.33 0.00 -0.55 0.00 0.00 66.41 65.30 2fcc h THR 127 Cb 1.22 1.69 -0.02 0.00 -1.73 0.00 0.00 68.15 69.30 2fcc h THR 127 CO -0.16 0.00 -1.77 -0.25 -0.25 0.00 0.00 175.52 173.09 2fcc h TRP 128 N 0.00 0.38 -4.07 4.73 7.01 -1.54 -3.47 115.95 119.00 2fcc h TRP 128 Ca 0.00 -0.28 -0.53 0.00 2.11 0.00 0.00 58.89 60.19 2fcc h TRP 128 Cb 0.85 -0.02 0.11 0.00 -2.10 0.00 0.00 29.16 28.00 2fcc h TRP 128 CO 0.00 1.47 0.50 0.71 -2.79 0.00 0.00 178.44 178.34 2fcc s TYR 129 N -2.59 2.45 0.12 2.65 2.02 -1.09 -5.01 117.35 115.90 2fcc s TYR 129 Ca -0.14 1.49 0.03 0.00 -0.37 0.00 0.00 57.07 58.08 2fcc s TYR 129 Cb 0.07 -3.54 -0.04 0.00 -0.40 0.00 0.00 41.96 38.05 2fcc s TYR 129 CO 0.81 -2.25 -0.08 0.15 -1.57 0.00 0.00 175.55 172.62 2fcc s LYS 130 N -3.12 0.92 -0.20 -0.62 1.02 -1.26 -4.47 119.74 112.01 2fcc s LYS 130 Ca 0.74 -1.38 -0.02 0.00 0.02 0.00 0.00 55.97 55.34 2fcc s LYS 130 Cb -0.32 -0.37 0.06 0.00 -0.52 0.00 0.00 37.83 36.67 2fcc s LYS 130 CO 0.36 0.02 0.00 -0.47 -0.92 0.00 0.00 175.35 174.35 2fcc s TYR 131 N -3.49 1.44 -1.45 3.18 5.04 0.08 0.74 117.35 122.89 2fcc s TYR 131 Ca 0.14 -1.09 -0.11 0.00 -2.44 0.00 0.00 57.07 53.57 2fcc s TYR 131 Cb 0.04 -1.19 0.04 0.00 0.35 0.00 0.00 41.96 41.20 2fcc s TYR 131 CO -0.03 -0.64 1.03 0.66 -1.34 0.00 0.00 175.55 175.23 2fcc n TYR 132 N 4.94 -2.53 -0.95 4.97 4.02 -1.26 -1.64 117.16 124.70 2fcc n TYR 132 Ca -0.10 0.91 0.00 0.00 -0.01 0.00 0.00 57.90 58.70 2fcc n TYR 132 Cb 0.46 -4.48 0.00 0.00 -0.02 0.00 0.00 39.34 35.31 2fcc n TYR 132 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2fcc n GLY 133 N -1.81 0.96 3.68 2.72 0.00 -1.26 -5.02 105.19 104.45 2fcc n GLY 133 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 2fcc n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fcc s LYS 134 N -0.07 3.09 -1.43 1.61 -0.14 -0.65 -5.01 119.74 117.14 2fcc s LYS 134 Ca 0.00 -0.40 -0.13 0.00 -1.36 0.00 0.00 55.97 54.09 2fcc s LYS 134 Cb 0.00 -2.84 0.06 0.00 -1.68 0.00 0.00 37.83 33.38 2fcc s LYS 134 CO 0.00 0.66 2.20 0.00 -0.76 0.00 0.00 175.35 177.45 2fcc n ALA 135 N 2.28 5.66 1.48 5.17 0.00 -1.26 -0.74 120.51 133.11 2fcc n ALA 135 Ca -0.18 -3.96 0.14 0.00 0.00 0.00 0.00 53.44 49.43 2fcc n ALA 135 Cb 0.54 -3.39 0.75 0.00 0.00 0.00 0.00 19.45 17.35 2fcc n ALA 135 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2fcc n ILE 136 N 4.54 0.06 1.22 0.00 -5.35 -1.26 -3.43 119.36 115.15 2fcc n ILE 136 Ca 0.51 0.02 0.13 0.00 -0.27 0.00 0.00 62.75 63.13 2fcc n ILE 136 Cb 0.37 -0.56 0.28 0.00 -1.74 0.00 0.00 39.64 38.00 2fcc n ILE 136 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 2fcc n TYR 137 N -1.19 0.00 0.00 4.28 4.01 -1.26 -5.12 117.16 117.88 2fcc n TYR 137 Ca 0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.90 2fcc n TYR 137 Cb 0.18 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.18 2fcc n TYR 137 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40